(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylbutanoic acid

C14H19N5O2 — CID 120964362

IUPAC(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylbutanoic acid
SMILESCc1cc(C)n(-c2ccc(N[C@H](C(=O)O)C(C)C)nn2)n1
InChIInChI=1S/C14H19N5O2/c1-8(2)13(14(20)21)15-11-5-6-12(17-16-11)19-10(4)7-9(3)18-19/h5-8,13H,1-4H3,(H,15,16)(H,20,21)/t13-/m0/s1
InChIKeyCGDQWWPXYWYOOR-ZDUSSCGKSA-N
MW289.34 g/mol
LogP1.80
Rot. Bonds5

About (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylbutanoic acid

(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylbutanoic acid (PubChem CID 120964362) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylbutanoic acid
PubChem CID120964362
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylbutanoic acid
SMILESCc1cc(C)n(-c2ccc(N[C@H](C(=O)O)C(C)C)nn2)n1
InChIInChI=1S/C14H19N5O2/c1-8(2)13(14(20)21)15-11-5-6-12(17-16-11)19-10(4)7-9(3)18-19/h5-8,13H,1-4H3,(H,15,16)(H,20,21)/t13-/m0/s1
InChIKeyCGDQWWPXYWYOOR-ZDUSSCGKSA-N
XLogP1.80
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-bromophenyl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine
CID 112818314
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridazin-3-amine
CID 133350408
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine
CID 133477637
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802156
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 16654431
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3,4-dimethylbenzamide
CID 16654487
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide
CID 122292993
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid
CID 122049461
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-fluorobenzamide
CID 16654494
2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-1-(4-phenylphenyl)ethanol
CID 133477233
3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid
CID 122059582
1-(3,5-dimethylphenyl)-3-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
CID 16654464

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylbutanoic acid?
The IUPAC name of (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylbutanoic acid (CID 120964362) is (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylbutanoic acid is Cc1cc(C)n(-c2ccc(N[C@H](C(=O)O)C(C)C)nn2)n1.
What is the InChIKey of (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylbutanoic acid?
The InChIKey is CGDQWWPXYWYOOR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-8(2)13(14(20)21)15-11-5-6-12(17-16-11)19-10(4)7-9(3)18-19/h5-8,13H,1-4H3,(H,15,16)(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylbutanoic acid?
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylbutanoic acid has a molecular weight of 289.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 120964362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).